prop-2-enyl (8E)-2-methoxy-8-[(4-methoxyphenyl)methylidene]-6-oxidanyl-11-oxidanylidene-3-phenylmethoxy-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate

Systemtic Name: prop-2-enyl (8E)-2-methoxy-8-[(4-methoxyphenyl)methylidene]-6-oxidanyl-11-oxidanylidene-3-phenylmethoxy-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate Openeye Name: allyl (8E)-3-benzyloxy-6-hydroxy-2-methoxy-8-[(4-methoxyphenyl)methylene]-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate CAS Name: (8E)-6-hydroxy-2-methoxy-8-[(4-methoxyphenyl)methylidene]-11-oxo-3-phenylmethoxy-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (8E)-6-hydroxy-2-methoxy-8-[(4-methoxyphenyl)methylidene]-11-oxo-3-phenylmethoxy-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate Traditional Name: (8E)-3-benzoxy-6-hydroxy-11-keto-2-methoxy-8-p-anisylidene-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylic acid allyl ester Formula: C32H32N2O7 MolecularWeight: 556.60568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C2CC3C(N(C4=CC(=C(C=C4C(=O)N3C2)OC)OCC5=CC=CC=C5)C(=O)OCC=C)O

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/2\CC3C(N(C4=CC(=C(C=C4C(=O)N3C2)OC)OCC5=CC=CC=C5)C(=O)OCC=C)O

InChI

InChI=1S/C32H32N2O7/c1-4-14-40-32(37)34-26-18-29(41-20-22-8-6-5-7-9-22)28(39-3)17-25(26)30(35)33-19-23(16-27(33)31(34)36)15-21-10-12-24(38-2)13-11-21/h4-13,15,17-18,27,31,36H,1,14,16,19-20H2,2-3H3/b23-15+